Crystallography Open Database

Information card for entry 7703080

Preview

Coordinates	7703080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H7 Co3 N6 O6
Calculated formula	C14 H6 Co3 N6 O6
Title of publication	Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.
Authors of publication	Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	750 - 756
a	18.453 ± 0.002 Å
b	11.663 ± 0.002 Å
c	11.0742 ± 0.001 Å
α	90°
β	94.348 ± 0.009°
γ	90°
Cell volume	2376.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247755 (current)	2020-02-04	cif/ Updating files of 7703080, 7703081, 7703082 Original log message: Adding full bibliography for 7703080--7703082.cif.	7703080.cif
246372	2020-01-01	cif/ Adding structures of 7703080, 7703081, 7703082 via cif-deposit CGI script.	7703080.cif